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EC number: 947-711-0 | CAS number: -
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- from 2018-01-11 to 2018-03-19
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- column elution method
- Key result
- Water solubility:
- 8.34 mg/L
- Temp.:
- 20 °C
- pH:
- 5
- Details on results:
- The analysis was performed by GC/FID after extraction of the samples with cyclohexane containing an internal standard. The test item - consisting of several isomers - showed up as three closely eluting peaks. The relative standard deviations of results of consecutive samples were 6.2 % and 5.7 %. The mean values between the two flows differed by 1.8 %. The acceptance criteria of the guideline were fulfilled and therefore, the study is valid.
The analytical method was verified by analysis of water samples spiked at a relevant concentration of the test item (13.6 mg test item/L). The average recovery for the spiked samples was found to be 98 % of the spiked values with a relative standard deviation of 4.0 %. The method was considered to be sufficiently accurate and precise for the purpose of this test. - Conclusions:
- The water solubility of the test item was determined using column elution method to be 8.34 mg/L at 20 °C.
- Executive summary:
The water solubility of the test item was determined according to OECD 105 and Regulation (EC) No. 440/2008 method A.6 using the column elution method with GC-FID analysis. About 106.95 mg test item were weighed and dissolved in 20 mL acetone and added to 100 mL round bottom flask containing 7 g glass beads. The acetone was evaporated using rotary evaporator and the remaining acetone was blown off using a stream of nitrogen. The dry loaded carrier (the glass beads) was poured into an elution column. The elution was performed using a recirculation pump. The column was kept at 20 °C. Two experiments with two different flow rates were conducted - one with 0.69 mL/min and one with 0.35 mL/min. After 2 hours of equilibration samples were taken every 1 hour for the higher flow rate and every 2 hours for the lower flow rate. These samples were analysed together with spiked water samples with GC-FID. The pH of each sample was recorded. The water solubility of the test item was determined to be 8.34 mg/L at 20 °C (pH = 5).
Reference
Results
Table 1 Results for Determination of Water Solubility
Experiment No |
Flow rate (mL/h) |
Sample No |
pH |
Measured concentration of test item (mg/L) |
Sample preparation factor F |
Water solubility C (mg/L) |
Water solubility mean value ± SD (mg/L) |
1 |
41 |
1 2 3 4 5 6 7 8 9 10 11 |
5 4.5 5 5 6 5 5 5 5 5 5 |
7.47 8.29 8.06 8.72 7.40 8.43 8.10 8.83 8.49 8.89 9.87 |
1 1 1 1 1 1 1 1 1 1 1 |
7.47 8.29 8.06 8.72 7.40 8.43 8.10 8.83 8.49 8.89 9.87 |
8.41 ± 0.52 (Rel.SD: 6.2%) |
2 |
21 |
1 2 3 4 5 |
5 5 5 5 5 |
8.06 7.97 7.80 8.52 8.96 |
1 1 1 1 1 |
8.06 7.97 7.80 8.52 8.96 |
8.26 ± 0.47 (Rel.SD: 5.7%) |
Overall mean: |
8.34 |
Table 2 Results for spiked samples
Nominal concentration of test item Cnom(mg/L) |
Measured concentration of test item in spiked samples x (mg/L) |
Sample preparation factor F |
Determined concentration of test item in spiked samples c (mg/L) |
Recovery rate R (%) |
Accuracy (Average recovery) (%) |
Precision (Relative Standard Deviation of Recovery) (%) |
13.6 |
13.2 13.1 14.1 13.0 |
1 1 1 1 |
13.2 13.1 14.1 13.0 |
97 97 104 95 |
98 |
4.0 |
Description of key information
The water solubility of the test item was determined using column elution method to be 8.34 mg/L at 20 °C.
Key value for chemical safety assessment
- Water solubility:
- 8.34 mg/L
- at the temperature of:
- 20 °C
Additional information
The water solubility of the test item was determined according to OECD 105 and Regulation (EC) No. 440/2008 method A.6 using the column elution method with GC-FID analysis. About 106.95 mg test item were weighed and dissolved in 20 mL acetone and added to 100 mL round bottom flask containing 7 g glass beads. The acetone was evaporated using rotary evaporator and the remaining acetone was blown off using a stream of nitrogen. The dry loaded carrier (the glass beads) was poured into an elution column. The elution was performed using a recirculation pump. The column was kept at 20 °C. Two experiments with two different flow rates were conducted - one with 0.69 mL/min and one with 0.35 mL/min. After 2 hours of equilibration samples were taken every 1 hour for the higher flow rate and every 2 hours for the lower flow rate. These samples were analysed together with spiked water samples with GC-FID. The pH of each sample was recorded. The water solubility of the test item was determined to be 8.34 mg/L at 20 °C (pH = 5).
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